3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide

C15H19N3OS — CID 119875329

IUPAC3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
SMILESCc1csc(CCCCNC(=O)c2cccc(N)c2)n1
InChIInChI=1S/C15H19N3OS/c1-11-10-20-14(18-11)7-2-3-8-17-15(19)12-5-4-6-13(16)9-12/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,19)
InChIKeyOPBMEQRSABCIAJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.79
Rot. Bonds6

About 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide

3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide (PubChem CID 119875329) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
PubChem CID119875329
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
SMILESCc1csc(CCCCNC(=O)c2cccc(N)c2)n1
InChIInChI=1S/C15H19N3OS/c1-11-10-20-14(18-11)7-2-3-8-17-15(19)12-5-4-6-13(16)9-12/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,19)
InChIKeyOPBMEQRSABCIAJ-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
CID 119875296
3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 91798002
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119878887
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
4-amino-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238521
2-amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942
4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide?
The IUPAC name of 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide (CID 119875329) is 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide.
What is the SMILES notation for 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide?
The canonical SMILES for 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide is Cc1csc(CCCCNC(=O)c2cccc(N)c2)n1.
What is the InChIKey of 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide?
The InChIKey is OPBMEQRSABCIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-10-20-14(18-11)7-2-3-8-17-15(19)12-5-4-6-13(16)9-12/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide?
3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide is sourced from PubChem (CID 119875329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).